Glycoside
GD027187
Name:
NoneFormula:
C20H23O5N7Smiles:
Cc1cccc(NC(=O)CNC(=O)[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c1CAglycone:
Cc1cccc(NC(=O)CNC=O)c1C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 441.45 | Num_heavy_atoms: | 32 |
| TPSA: | 177.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD17891
Formula: C11H14O2N2
Smiles:
Cc1cccc(NC(=O)CNC=O)c1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.25 | Num_heavy_atoms: | 15 |
| TPSA: | 58.2 | NumAromaticRings: | 1 |
